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83438-56-6 | Propanoic acid, 3-[(2-carboxyethyl)thio]-,1-(9-octadecenyl) ester, (Z)- (9CI)
CAS No: 83438-56-6 Catalog No: AG004VJM MDL No:
Product Description
Catalog Number:
AG004VJM
Chemical Name:
Propanoic acid, 3-[(2-carboxyethyl)thio]-,1-(9-octadecenyl) ester, (Z)- (9CI)
CAS Number:
83438-56-6
Molecular Formula:
C24H44O4S
Molecular Weight:
428.6688
IUPAC Name:
3-[3-[(Z)-octadec-9-enoxy]-3-oxopropyl]sulfanylpropanoic acid
InChI:
InChI=1S/C24H44O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-24(27)19-22-29-21-18-23(25)26/h9-10H,2-8,11-22H2,1H3,(H,25,26)/b10-9-
InChI Key:
RWKKAEQFAWDJDP-KTKRTIGZSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCCOC(=O)CCSCCC(=O)O
EC Number:
280-456-7
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
428.296g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
428.672g/mol
Monoisotopic Mass:
428.296g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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